Glycoside

GD151372
Name:
11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,12a-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C35H54O11Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)CC(CO)(OC6OCC(O)C(O)C6O)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)CC(O)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.89 |
AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
MolWt: | 650.81 | Num_heavy_atoms: | 46 |
TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60375
Formula: C30H46O7
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)CC(O)(CO)C5CCC43C)C2C1HBA: | 7 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.87 |
AlogP: | 4.08 | Num_rotatable_bonds: | 3 |
MolWt: | 518.69 | Num_heavy_atoms: | 37 |
TPSA: | 124.29 | NumAromaticRings: | 0 |